Zinc in PDB 3ugd: Structural and Functional Characterization of An Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase C Delta
Enzymatic activity of Structural and Functional Characterization of An Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase C Delta
All present enzymatic activity of Structural and Functional Characterization of An Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase C Delta:
2.7.11.13;
Protein crystallography data
The structure of Structural and Functional Characterization of An Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase C Delta, PDB code: 3ugd
was solved by
S.Shanmugasundararaj,
T.Stehle,
K.W.Miller,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
9.96 /
1.45
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
43.946,
32.504,
49.677,
90.00,
94.21,
90.00
|
R / Rfree (%)
|
17.3 /
21.8
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Structural and Functional Characterization of An Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase C Delta
(pdb code 3ugd). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the
Structural and Functional Characterization of An Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase C Delta, PDB code: 3ugd:
Jump to Zinc binding site number:
1;
2;
3;
4;
Zinc binding site 1 out
of 4 in 3ugd
Go back to
Zinc Binding Sites List in 3ugd
Zinc binding site 1 out
of 4 in the Structural and Functional Characterization of An Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase C Delta
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Structural and Functional Characterization of An Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase C Delta within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn1
b:8.6
occ:1.00
|
ND1
|
A:HIS269
|
2.1
|
8.6
|
1.0
|
SG
|
A:CYS272
|
2.3
|
9.1
|
1.0
|
SG
|
A:CYS247
|
2.3
|
8.6
|
1.0
|
SG
|
A:CYS244
|
2.4
|
8.0
|
1.0
|
CB
|
A:CYS244
|
3.0
|
8.4
|
1.0
|
CE1
|
A:HIS269
|
3.0
|
8.2
|
1.0
|
CG
|
A:HIS269
|
3.2
|
7.6
|
1.0
|
CB
|
A:CYS247
|
3.3
|
8.6
|
1.0
|
CB
|
A:CYS272
|
3.4
|
8.0
|
1.0
|
CB
|
A:HIS269
|
3.5
|
7.3
|
1.0
|
N
|
A:CYS247
|
3.9
|
8.1
|
1.0
|
N
|
A:HIS269
|
4.0
|
7.0
|
1.0
|
CA
|
A:CYS247
|
4.2
|
8.5
|
1.0
|
NE2
|
A:HIS269
|
4.2
|
8.2
|
1.0
|
CD2
|
A:HIS269
|
4.3
|
8.7
|
1.0
|
CA
|
A:HIS269
|
4.4
|
7.6
|
1.0
|
CA
|
A:CYS244
|
4.5
|
7.4
|
1.0
|
CA
|
A:CYS272
|
4.7
|
8.5
|
1.0
|
CB
|
A:HIS246
|
4.7
|
10.0
|
1.0
|
C
|
A:CYS247
|
4.9
|
8.9
|
1.0
|
CD2
|
A:HIS246
|
4.9
|
11.2
|
1.0
|
C
|
A:HIS246
|
4.9
|
9.1
|
1.0
|
N
|
A:GLY248
|
4.9
|
8.0
|
1.0
|
N
|
A:CYS272
|
5.0
|
8.9
|
1.0
|
|
Zinc binding site 2 out
of 4 in 3ugd
Go back to
Zinc Binding Sites List in 3ugd
Zinc binding site 2 out
of 4 in the Structural and Functional Characterization of An Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase C Delta
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Structural and Functional Characterization of An Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase C Delta within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn2
b:10.0
occ:1.00
|
ND1
|
A:HIS231
|
2.1
|
9.6
|
1.0
|
SG
|
A:CYS264
|
2.3
|
9.2
|
1.0
|
SG
|
A:CYS280
|
2.3
|
11.0
|
1.0
|
SG
|
A:CYS261
|
2.4
|
9.9
|
1.0
|
CE1
|
A:HIS231
|
2.9
|
10.4
|
1.0
|
CB
|
A:CYS264
|
3.2
|
9.3
|
1.0
|
CB
|
A:CYS261
|
3.2
|
8.8
|
1.0
|
CB
|
A:CYS280
|
3.3
|
10.8
|
1.0
|
CG
|
A:HIS231
|
3.3
|
9.2
|
1.0
|
N
|
A:CYS264
|
3.7
|
10.3
|
1.0
|
CA
|
A:HIS231
|
3.8
|
9.8
|
1.0
|
CB
|
A:HIS231
|
3.8
|
9.2
|
1.0
|
CA
|
A:CYS264
|
4.0
|
10.1
|
1.0
|
NE2
|
A:HIS231
|
4.1
|
10.8
|
1.0
|
O
|
A:HOH25
|
4.1
|
11.5
|
1.0
|
CA
|
A:CYS280
|
4.2
|
11.2
|
1.0
|
CD2
|
A:HIS231
|
4.3
|
9.8
|
1.0
|
N
|
A:HIS231
|
4.6
|
8.9
|
1.0
|
CB
|
A:ASP263
|
4.6
|
13.3
|
1.0
|
CA
|
A:CYS261
|
4.7
|
8.6
|
1.0
|
N
|
A:ARG232
|
4.7
|
11.9
|
1.0
|
C
|
A:ASP263
|
4.7
|
11.1
|
1.0
|
C
|
A:CYS264
|
4.8
|
9.1
|
1.0
|
C
|
A:HIS231
|
4.8
|
10.9
|
1.0
|
CB
|
A:MET266
|
4.8
|
8.2
|
1.0
|
N
|
A:GLY265
|
4.9
|
7.8
|
1.0
|
C
|
A:CYS280
|
5.0
|
10.9
|
1.0
|
|
Zinc binding site 3 out
of 4 in 3ugd
Go back to
Zinc Binding Sites List in 3ugd
Zinc binding site 3 out
of 4 in the Structural and Functional Characterization of An Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase C Delta
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Structural and Functional Characterization of An Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase C Delta within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn3
b:8.4
occ:1.00
|
ND1
|
B:HIS269
|
2.1
|
8.2
|
1.0
|
SG
|
B:CYS272
|
2.2
|
8.9
|
1.0
|
SG
|
B:CYS247
|
2.3
|
8.0
|
1.0
|
SG
|
B:CYS244
|
2.4
|
7.4
|
1.0
|
CB
|
B:CYS244
|
3.0
|
8.2
|
1.0
|
CE1
|
B:HIS269
|
3.0
|
8.4
|
1.0
|
CG
|
B:HIS269
|
3.2
|
7.2
|
1.0
|
CB
|
B:CYS247
|
3.3
|
8.7
|
1.0
|
CB
|
B:CYS272
|
3.3
|
8.3
|
1.0
|
CB
|
B:HIS269
|
3.5
|
7.4
|
1.0
|
N
|
B:CYS247
|
3.9
|
8.3
|
1.0
|
N
|
B:HIS269
|
4.0
|
7.8
|
1.0
|
CA
|
B:CYS247
|
4.2
|
8.8
|
1.0
|
NE2
|
B:HIS269
|
4.2
|
7.8
|
1.0
|
CD2
|
B:HIS269
|
4.3
|
7.8
|
1.0
|
CA
|
B:HIS269
|
4.4
|
7.5
|
1.0
|
O
|
B:HOH6
|
4.5
|
15.0
|
1.0
|
CA
|
B:CYS244
|
4.5
|
8.1
|
1.0
|
CA
|
B:CYS272
|
4.7
|
7.8
|
1.0
|
CB
|
B:HIS246
|
4.8
|
10.5
|
1.0
|
CD2
|
B:HIS246
|
4.9
|
11.7
|
1.0
|
C
|
B:CYS247
|
4.9
|
9.1
|
1.0
|
N
|
B:CYS272
|
4.9
|
8.1
|
1.0
|
C
|
B:HIS246
|
5.0
|
10.4
|
1.0
|
N
|
B:GLY248
|
5.0
|
7.3
|
1.0
|
|
Zinc binding site 4 out
of 4 in 3ugd
Go back to
Zinc Binding Sites List in 3ugd
Zinc binding site 4 out
of 4 in the Structural and Functional Characterization of An Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase C Delta
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Structural and Functional Characterization of An Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase C Delta within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn4
b:10.0
occ:1.00
|
ND1
|
B:HIS231
|
2.1
|
11.0
|
1.0
|
SG
|
B:CYS264
|
2.3
|
9.7
|
1.0
|
SG
|
B:CYS280
|
2.3
|
12.8
|
1.0
|
SG
|
B:CYS261
|
2.4
|
9.3
|
1.0
|
CE1
|
B:HIS231
|
2.9
|
10.6
|
1.0
|
CB
|
B:CYS261
|
3.2
|
9.1
|
1.0
|
CB
|
B:CYS264
|
3.2
|
8.3
|
1.0
|
CG
|
B:HIS231
|
3.3
|
10.4
|
1.0
|
CB
|
B:CYS280
|
3.3
|
12.7
|
1.0
|
CA
|
B:HIS231
|
3.7
|
11.4
|
1.0
|
CB
|
B:HIS231
|
3.7
|
10.8
|
1.0
|
N
|
B:CYS264
|
3.7
|
9.5
|
1.0
|
CA
|
B:CYS264
|
4.1
|
9.2
|
1.0
|
O
|
B:HOH8
|
4.1
|
15.5
|
1.0
|
NE2
|
B:HIS231
|
4.1
|
9.9
|
1.0
|
CA
|
B:CYS280
|
4.2
|
11.8
|
1.0
|
CD2
|
B:HIS231
|
4.3
|
10.5
|
1.0
|
N
|
B:HIS231
|
4.5
|
11.6
|
1.0
|
CB
|
B:ASP263
|
4.6
|
14.2
|
1.0
|
N
|
B:ARG232
|
4.6
|
12.8
|
1.0
|
CA
|
B:CYS261
|
4.6
|
8.7
|
1.0
|
C
|
B:ASP263
|
4.7
|
11.0
|
1.0
|
C
|
B:HIS231
|
4.8
|
12.1
|
1.0
|
C
|
B:CYS264
|
4.8
|
9.4
|
1.0
|
CB
|
B:MET266
|
4.8
|
7.0
|
1.0
|
N
|
B:GLY265
|
4.9
|
7.9
|
1.0
|
CA
|
B:ASP263
|
5.0
|
12.7
|
1.0
|
C
|
B:CYS280
|
5.0
|
11.3
|
1.0
|
|
Reference:
S.Shanmugasundararaj,
J.Das,
W.S.Sandberg,
X.Zhou,
D.Wang,
R.O.Messing,
K.S.Bruzik,
T.Stehle,
K.W.Miller.
Structural and Functional Characterization of An Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase C Delta Biophys.J. V. 103 2331 2012.
ISSN: ISSN 0006-3495
PubMed: 23283232
DOI: 10.1016/J.BPJ.2012.10.034
Page generated: Sat Oct 26 17:17:48 2024
|